6-(2-pyrrolidin-1-ylethoxy)pyrazine-2-carbothioamide

C11H16N4OS — CID 71397493

IUPAC6-(2-pyrrolidin-1-ylethoxy)pyrazine-2-carbothioamide
SMILESNC(=S)c1cncc(OCCN2CCCC2)n1
InChIInChI=1S/C11H16N4OS/c12-11(17)9-7-13-8-10(14-9)16-6-5-15-3-1-2-4-15/h7-8H,1-6H2,(H2,12,17)
InChIKeyPRHNMGJBUDSAHA-UHFFFAOYSA-N
MW252.34 g/mol
LogP0.59
Rot. Bonds5

About 6-(2-pyrrolidin-1-ylethoxy)pyrazine-2-carbothioamide

6-(2-pyrrolidin-1-ylethoxy)pyrazine-2-carbothioamide (PubChem CID 71397493) has the molecular formula C11H16N4OS and a molecular weight of 252.34 g/mol. Its IUPAC name is 6-(2-pyrrolidin-1-ylethoxy)pyrazine-2-carbothioamide.

Molecular Properties

Compound Name6-(2-pyrrolidin-1-ylethoxy)pyrazine-2-carbothioamide
PubChem CID71397493
Molecular FormulaC11H16N4OS
Molecular Weight252.34 g/mol
Exact Mass252.10
IUPAC Name6-(2-pyrrolidin-1-ylethoxy)pyrazine-2-carbothioamide
SMILESNC(=S)c1cncc(OCCN2CCCC2)n1
InChIInChI=1S/C11H16N4OS/c12-11(17)9-7-13-8-10(14-9)16-6-5-15-3-1-2-4-15/h7-8H,1-6H2,(H2,12,17)
InChIKeyPRHNMGJBUDSAHA-UHFFFAOYSA-N
XLogP0.59
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(2-pyrrolidin-1-ylethoxy)pyrazine
CID 53486086
6-pyrrolidin-1-ylpyrazine-2-carbothioamide
CID 1282528
3-(2-pyrrolidin-1-ylethoxy)pyridazine-4-carbothioamide
CID 80512741
6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine
CID 80870818
2-[2-(azocan-1-yl)ethoxy]benzenecarbothioamide
CID 43290517
[6-(2-pyrrolidin-1-ylethoxy)pyridazin-3-yl]methanol
CID 61255515
2-(2-piperidin-1-ylethoxy)naphthalene-1-carbothioamide
CID 20987051
5-(2-piperidin-1-ylethylamino)pyridine-2-carbothioamide
CID 113320854
[6-(2-pyrrolidin-1-ylethoxy)-2-pyridinyl]methanol
CID 62239546
5-bromo-4-(2-piperidin-1-ylethoxy)pyrimidin-2-amine
CID 80870583
6-iodo-2-(2-pyrrolidin-1-ylethoxy)quinoxaline
CID 69085291
N'-hydroxy-5-(2-piperidin-1-ylethoxy)pyridine-2-carboximidamide
CID 136990863

Frequently Asked Questions

What is the IUPAC name of 6-(2-pyrrolidin-1-ylethoxy)pyrazine-2-carbothioamide?
The IUPAC name of 6-(2-pyrrolidin-1-ylethoxy)pyrazine-2-carbothioamide (CID 71397493) is 6-(2-pyrrolidin-1-ylethoxy)pyrazine-2-carbothioamide.
What is the SMILES notation for 6-(2-pyrrolidin-1-ylethoxy)pyrazine-2-carbothioamide?
The canonical SMILES for 6-(2-pyrrolidin-1-ylethoxy)pyrazine-2-carbothioamide is NC(=S)c1cncc(OCCN2CCCC2)n1.
What is the InChIKey of 6-(2-pyrrolidin-1-ylethoxy)pyrazine-2-carbothioamide?
The InChIKey is PRHNMGJBUDSAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4OS/c12-11(17)9-7-13-8-10(14-9)16-6-5-15-3-1-2-4-15/h7-8H,1-6H2,(H2,12,17).
What are the key properties of 6-(2-pyrrolidin-1-ylethoxy)pyrazine-2-carbothioamide?
6-(2-pyrrolidin-1-ylethoxy)pyrazine-2-carbothioamide has a molecular weight of 252.34 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-pyrrolidin-1-ylethoxy)pyrazine-2-carbothioamide is sourced from PubChem (CID 71397493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).